16,19-dihydroxydocosanoic acid

C22H44O4 — CID 169277473

IUPAC16,19-dihydroxydocosanoic acid
SMILESCCCC(O)CCC(O)CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O4/c1-2-15-20(23)18-19-21(24)16-13-11-9-7-5-3-4-6-8-10-12-14-17-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)
InChIKeyILXIDJPUDZQAGY-UHFFFAOYSA-N
MW372.59 g/mol
LogP5.83
Rot. Bonds20

About 16,19-dihydroxydocosanoic acid

16,19-dihydroxydocosanoic acid (PubChem CID 169277473) has the molecular formula C22H44O4 and a molecular weight of 372.59 g/mol. Its IUPAC name is 16,19-dihydroxydocosanoic acid.

Molecular Properties

Compound Name16,19-dihydroxydocosanoic acid
PubChem CID169277473
Molecular FormulaC22H44O4
Molecular Weight372.59 g/mol
Exact Mass372.32
IUPAC Name16,19-dihydroxydocosanoic acid
SMILESCCCC(O)CCC(O)CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O4/c1-2-15-20(23)18-19-21(24)16-13-11-9-7-5-3-4-6-8-10-12-14-17-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)
InChIKeyILXIDJPUDZQAGY-UHFFFAOYSA-N
XLogP5.83
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

24-hydroxyheptacosanoic acid
CID 169277120
18,21-dihydroxytriacontanoic acid
CID 169277047
(10S)-10-hydroxyoctadecanoic acid
CID 91864452
15-hydroxypentacosanoic acid
CID 5312784
10-hydroxyhexacosanoic acid
CID 169277522
21-hydroxypentacosanoic acid
CID 169277058
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
hexadecan-7-ol;octadecanoic acid
CID 174589795

Frequently Asked Questions

What is the IUPAC name of 16,19-dihydroxydocosanoic acid?
The IUPAC name of 16,19-dihydroxydocosanoic acid (CID 169277473) is 16,19-dihydroxydocosanoic acid.
What is the SMILES notation for 16,19-dihydroxydocosanoic acid?
The canonical SMILES for 16,19-dihydroxydocosanoic acid is CCCC(O)CCC(O)CCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 16,19-dihydroxydocosanoic acid?
The InChIKey is ILXIDJPUDZQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O4/c1-2-15-20(23)18-19-21(24)16-13-11-9-7-5-3-4-6-8-10-12-14-17-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26).
What are the key properties of 16,19-dihydroxydocosanoic acid?
16,19-dihydroxydocosanoic acid has a molecular weight of 372.59 g/mol, XLogP of 5.83, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,19-dihydroxydocosanoic acid is sourced from PubChem (CID 169277473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).